2-[(2R)-1-(2,3-dihydro-1H-inden-2-yl)-3-oxidanylidene-piperazin-1-ium-2-yl]-N-[(5-methylthiophen-2-yl)methyl]ethanamide

Systemtic Name: 2-[(2R)-1-(2,3-dihydro-1H-inden-2-yl)-3-oxidanylidene-piperazin-1-ium-2-yl]-N-[(5-methylthiophen-2-yl)methyl]ethanamide Openeye Name: 2-[(2R)-1-indan-2-yl-3-oxo-piperazin-1-ium-2-yl]-N-[(5-methyl-2-thienyl)methyl]acetamide CAS Name: 2-[(2R)-1-(2,3-dihydro-1H-inden-2-yl)-3-oxo-2-piperazin-1-iumyl]-N-[(5-methyl-2-thiophenyl)methyl]acetamide IUPAC Name: 2-[(2R)-1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-1-ium-2-yl]-N-[(5-methylthiophen-2-yl)methyl]acetamide Traditional Name: 2-[(2R)-1-indan-2-yl-3-keto-piperazin-1-ium-2-yl]-N-[(5-methyl-2-thienyl)methyl]acetamide Formula: C21H26N3O2S+ MolecularWeight: 384.51504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)CNC(=O)CC2C(=O)NCC[NH+]2C3CC4=CC=CC=C4C3

Isomeric SMILES

CC1=CC=C(S1)CNC(=O)C[C@@H]2C(=O)NCC[NH+]2C3CC4=CC=CC=C4C3

InChI

InChI=1S/C21H25N3O2S/c1-14-6-7-18(27-14)13-23-20(25)12-19-21(26)22-8-9-24(19)17-10-15-4-2-3-5-16(15)11-17/h2-7,17,19H,8-13H2,1H3,(H,22,26)(H,23,25)/p+1/t19-/m1/s1